(6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one
TL;DR: (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one (CAS 111189-88-9) is a chemical compound with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7R)-6,7-dihydroxy-5,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one
Also Known As: (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one, (6S,7R)-6,7-dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one, (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(1H)-one
| Molecular Formula | C8H9N5O3 |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.07054 |
| Heavy Atoms | 16 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 111189-88-9 |
|---|---|
| SMILES | C1[C@H]([C@@H](NC2=NC3=C(C(=O)N21)NC=N3)O)O |
| InChIKey | ACUCINOUCPAFCF-CVYQJGLWSA-N |
Product Overview
(6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one (CAS 111189-88-9), with molecular formula C8H9N5O3 and molecular weight 223.07 g/mol. IUPAC: (6S,7R)-6,7-dihydroxy-5,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one.
Chemical Property Profile of (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one
Property Insights of (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one
The XLogP value of -1.9 indicates that (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one. Following Lipinski's Rule of Five, (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one?
The CAS number of (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one is 111189-88-9.
What is the molecular formula of (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one?
The molecular formula of (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one is C8H9N5O3.
What is the molecular weight of (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one?
The molecular weight of (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one is 223.07 g/mol.
Where can I buy (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one?
You can request a quote for (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one?
Yes, KEHONG BIO provides custom synthesis services for (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.